@<TRIPOS>MOLECULE
BindingDB_5566
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         7.2986   45.5187   51.5708  C     
2    C         8.1458   44.0113   49.9307  C     
3    C         9.6700   45.3761   51.1113  C     
4    C         8.6091   45.9805   51.8389  C     
5    N         7.1206   44.5533   50.6260  N     
6    N         9.4082   44.4151   50.1879  N     
7    N         7.8736   43.0833   49.0029  N     
8    N         8.7533   46.9739   52.7436  N     
9    O         9.7660   47.5643   53.0289  O     
10   O         6.2431   46.0138   52.3092  O     
11   C         4.9019   45.8857   51.7867  C     
12   C         3.8610   46.2688   52.8697  C     
13   C         2.4060   46.1180   52.3185  C     
14   C         1.3391   46.4311   53.3939  C     
15   C         1.5385   45.5855   54.6788  C     
16   C         2.9754   45.7299   55.2410  C     
17   C         4.0476   45.4187   54.1686  C     
18   N        10.9617   45.6972   51.2921  N     
19   H         8.5873   42.6700   48.4943  H     
20   H         6.9555   42.8183   48.8375  H     
21   H         4.7908   46.5456   50.9206  H     
22   H         4.7144   44.8564   51.4664  H     
23   H         4.0151   47.3213   53.1270  H     
24   H         2.2604   46.7998   51.4753  H     
25   H         2.2546   45.0969   51.9545  H     
26   H         1.3971   47.4926   53.6464  H     
27   H         0.3423   46.2360   52.9887  H     
28   H         0.8211   45.9098   55.4374  H     
29   H         1.3372   44.5321   54.4553  H     
30   H         3.1213   46.7507   55.6070  H     
31   H         3.1008   45.0492   56.0874  H     
32   H         4.0001   44.3544   53.9189  H     
33   H         5.0338   45.6162   54.6007  H     
34   H        11.6433   45.2362   50.7838  H     
35   H        11.2180   46.3646   51.9440  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    5 1
     5    2    6 2
     6    2    7 1
     7    3    4 2
     8    3    6 1
     9    3   18 1
    10    4    8 1
    11    8    9 2
    12   10   11 1
    13   11   12 1
    14   12   13 1
    15   12   17 1
    16   13   14 1
    17   14   15 1
    18   15   16 1
    19   16   17 1
    20    7   19 1
    21    7   20 1
    22   11   21 1
    23   11   22 1
    24   12   23 1
    25   13   24 1
    26   13   25 1
    27   14   26 1
    28   14   27 1
    29   15   28 1
    30   15   29 1
    31   16   30 1
    32   16   31 1
    33   17   32 1
    34   17   33 1
    35   18   34 1
    36   18   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0804
  Crash		| -0.4342
  Polar		| 2.5966
  FragIndex	| 1
  FragRMSD	| 0.195